CAS RN: 432499-63-3
4E2RCat
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250805 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260217 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250201 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251130 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260226 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260207 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260207 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250512 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS432499-63-3
- Purity/Analytical Methods: >99.0%
432499-63-3 / 5-[5-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoic acid
Basic Information
CAS
432499-63-3
Multi CAS
Yes
Molecular Formula
C22H14CLNO4S2
Molecular Weight
455.900000
Exact Mass
455.005278
InChI
InChI=1S/C22H14ClNO4S2/c23-17-8-6-14(10-16(17)21(26)27)18-9-7-15(28-18)11-19-20(25)24(22(29)30-19)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,26,27)
InChIKey
WOBPZFKXPCYOLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
17
Fraction Csp3
0.05
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
121.27
TPSA
70.75
LogP / Solubility
WLOGP
5.7
MLOGP
5.05
XLogP3
5.4
Consensus LogP
5.38
Log S (ESOL)
-6.35
Class (ESOL)
Insoluble
Log S (Ali)
-7.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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